2-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl-methyl-amino]-N-(4-morpholin-4-ylphenyl)ethanamide

Systemtic Name: 2-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl-methyl-amino]-N-(4-morpholin-4-ylphenyl)ethanamide Openeye Name: 2-[(3-fluoro-4-methyl-phenyl)carbamothioyl-methyl-amino]-N-(4-morpholinophenyl)acetamide CAS Name: 2-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]-methylamino]-N-[4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[(3-fluoro-4-methylphenyl)carbamothioyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[(3-fluoro-4-methyl-phenyl)thiocarbamoyl-methyl-amino]-N-(4-morpholinophenyl)acetamide Formula: C21H25FN4O2S MolecularWeight: 416.512203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3)F

InChI

InChI=1S/C21H25FN4O2S/c1-15-3-4-17(13-19(15)22)24-21(29)25(2)14-20(27)23-16-5-7-18(8-6-16)26-9-11-28-12-10-26/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)(H,24,29)